N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide

C19H32N4O2 — CID 24718395

IUPACN-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide
SMILESCCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC)C(C)CC)c1
InChIInChI=1S/C19H32N4O2/c1-7-14(4)23(18(24)8-2)13-15-12-16(21-19(25)20-9-3)10-11-17(15)22(5)6/h10-12,14H,7-9,13H2,1-6H3,(H2,20,21,25)
InChIKeyAAXXCFNGOYFTDA-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.43
Rot. Bonds8

About N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide

N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide (PubChem CID 24718395) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide
PubChem CID24718395
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide
SMILESCCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC)C(C)CC)c1
InChIInChI=1S/C19H32N4O2/c1-7-14(4)23(18(24)8-2)13-15-12-16(21-19(25)20-9-3)10-11-17(15)22(5)6/h10-12,14H,7-9,13H2,1-6H3,(H2,20,21,25)
InChIKeyAAXXCFNGOYFTDA-UHFFFAOYSA-N
XLogP3.43
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-butan-2-yl-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 24718396
N-[3-[[acetyl(butan-2-yl)amino]methyl]-4-(dimethylamino)phenyl]propanamide
CID 24711965
N-butan-2-yl-N-[[2-(dimethylamino)-5-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-methylpropanamide
CID 42669755
N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 42816979
1-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]-3-(3-fluorophenyl)-1-(3-methylbutan-2-yl)urea
CID 46138517
N-butan-2-yl-N-[[2-(dimethylamino)-5-(3,3-dimethylbutanoylamino)phenyl]methyl]cyclopropanecarboxamide
CID 42817209
N-butan-2-yl-N-[[5-(cyclopropanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-3-methylbenzamide
CID 42817282
1-[4-(dimethylamino)-3-[[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]methyl]phenyl]-3-ethylurea
CID 42816891
(2R)-N-(cyclopropylmethyl)-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]-2-phenylbutanamide
CID 93129513
N-butan-2-yl-N-[[5-(cyclobutanecarbonylamino)-2-(dimethylamino)phenyl]methyl]-3-methylbenzamide
CID 42817281
N-[3-[[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]methyl]-4-(dimethylamino)phenyl]-3-methylbutanamide
CID 93129082
N-[(2S)-butan-2-yl]-N-[[5-[(2-chlorobenzoyl)amino]-2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 93128947

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide?
The IUPAC name of N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide (CID 24718395) is N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide.
What is the SMILES notation for N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide?
The canonical SMILES for N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide is CCNC(=O)Nc1ccc(N(C)C)c(CN(C(=O)CC)C(C)CC)c1.
What is the InChIKey of N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide?
The InChIKey is AAXXCFNGOYFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-7-14(4)23(18(24)8-2)13-15-12-16(21-19(25)20-9-3)10-11-17(15)22(5)6/h10-12,14H,7-9,13H2,1-6H3,(H2,20,21,25).
What are the key properties of N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide?
N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide has a molecular weight of 348.49 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-[[2-(dimethylamino)-5-(ethylcarbamoylamino)phenyl]methyl]propanamide is sourced from PubChem (CID 24718395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).